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C1E

Summary
Name:(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Formula:C12 H9 Cl O4
Formal charge:0
Formula weight:252.65 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
OpenEye OEToolkits1.5.0(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenyl-hexa-2,4-dienoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(\C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1
SMILES_CANONICALCACTVS3.341OC(=O)C(/O)=C(Cl)\C=C\C(=O)c1ccccc1
SMILESCACTVS3.341OC(=O)C(O)=C(Cl)C=CC(=O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)\C=C\C(=C(/C(=O)O)\O)\Cl
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(=O)C=CC(=C(C(=O)O)O)Cl
InChIInChI1.03InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9-
InChIKeyInChI1.03IBJDCVXDXGFGIO-FKTQTOOFSA-N

225158

PDB entries from 2024-09-18

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